UCSF

ZINC69232072

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 Yes

Popular Name: (2S)-2-cyclopropyl-2-(cyclopropylamino)-3-[(2R)-2-methyl-1,4-oxazepan-4-yl]propanamide (2S)-2-cyclopropyl-2-(cyclopropy…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 3.76 -37.06 4 5 1 69 282.408 6 ↓
Hi High (pH 8-9.5) 0.63 3.45 -7.88 3 5 0 68 281.4 6 ↓
Hi High (pH 8-9.5) 0.63 2.89 -31.19 4 5 1 72 282.408 6 ↓
Lo Low (pH 4.5-6) 0.63 4.45 -106.87 5 5 2 73 283.416 6 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.